REMARK Name = BDB048564 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.066 1.468 -0.054 0.00 0.00 +0.014 C ATOM 2 C LIG 1 -0.856 0.386 -0.146 0.00 0.00 +0.007 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 -2.319 0.426 -0.005 0.00 0.00 -0.018 A ATOM 4 C LIG 1 -3.093 1.418 -0.627 0.00 0.00 +0.053 A ATOM 5 C LIG 1 -4.481 1.412 -0.501 0.00 0.00 +0.125 A ATOM 6 C LIG 1 -5.093 0.397 0.238 0.00 0.00 +0.091 A ATOM 7 C LIG 1 -4.341 -0.605 0.855 0.00 0.00 +0.125 A ATOM 8 C LIG 1 -2.953 -0.591 0.723 0.00 0.00 +0.053 A BRANCH 5 9 ATOM 9 O LIG 1 -5.348 2.312 -1.054 0.00 0.00 -0.489 OA BRANCH 9 10 ATOM 10 C LIG 1 -4.814 3.448 -1.738 0.00 0.00 +0.173 C ATOM 11 C LIG 1 -5.925 4.492 -1.850 0.00 0.00 +0.044 C ATOM 12 C LIG 1 -6.802 4.004 -3.000 0.00 0.00 +0.004 C ATOM 13 C LIG 1 -5.909 3.119 -3.867 0.00 0.00 +0.004 C ATOM 14 C LIG 1 -4.533 3.129 -3.205 0.00 0.00 +0.044 C ENDBRANCH 9 10 ENDBRANCH 5 9 BRANCH 7 15 ATOM 15 O LIG 1 -5.081 -1.532 1.535 0.00 0.00 -0.489 OA BRANCH 15 16 ATOM 16 C LIG 1 -4.397 -2.526 2.302 0.00 0.00 +0.173 C ATOM 17 C LIG 1 -4.042 -3.739 1.446 0.00 0.00 +0.044 C ATOM 18 C LIG 1 -5.365 -4.480 1.266 0.00 0.00 +0.004 C ATOM 19 C LIG 1 -6.226 -4.104 2.471 0.00 0.00 +0.004 C ATOM 20 C LIG 1 -5.397 -3.120 3.294 0.00 0.00 +0.044 C ENDBRANCH 15 16 ENDBRANCH 7 15 ENDBRANCH 2 3 BRANCH 1 21 ATOM 21 C LIG 1 1.435 1.486 -0.174 0.00 0.00 +0.256 C BRANCH 21 22 ATOM 22 O LIG 1 1.941 0.176 -0.418 0.00 0.00 -0.488 OA BRANCH 22 26 ATOM 23 C LIG 1 6.036 -0.507 -0.890 0.00 0.00 -0.044 A ATOM 24 C LIG 1 5.091 -1.534 -0.981 0.00 0.00 +0.007 A ATOM 25 C LIG 1 3.732 -1.255 -0.818 0.00 0.00 +0.046 A ATOM 26 C LIG 1 3.295 0.046 -0.558 0.00 0.00 +0.121 A ATOM 27 C LIG 1 4.235 1.072 -0.462 0.00 0.00 +0.046 A ATOM 28 C LIG 1 5.596 0.796 -0.626 0.00 0.00 +0.007 A BRANCH 23 29 ATOM 29 C LIG 1 7.512 -0.805 -1.043 0.00 0.00 +0.078 C BRANCH 29 30 ATOM 30 C LIG 1 8.208 -0.971 0.316 0.00 0.00 +0.230 C BRANCH 30 31 ATOM 31 C LIG 1 9.515 -1.743 0.113 0.00 0.00 +0.334 C ATOM 32 O LIG 1 10.652 -1.348 0.316 0.00 0.00 -0.248 OA BRANCH 31 33 ATOM 33 O LIG 1 9.316 -3.016 -0.294 0.00 0.00 -0.479 OA ATOM 34 H LIG 1 10.223 -3.383 -0.359 0.00 0.00 +0.295 HD ENDBRANCH 31 33 ENDBRANCH 30 31 BRANCH 30 35 ATOM 35 O LIG 1 8.439 0.337 0.856 0.00 0.00 -0.365 OA BRANCH 35 37 ATOM 36 C LIG 1 7.341 0.434 3.009 0.00 0.00 +0.034 C ATOM 37 C LIG 1 8.662 0.348 2.265 0.00 0.00 +0.157 C ENDBRANCH 35 37 ENDBRANCH 30 35 ENDBRANCH 29 30 ENDBRANCH 23 29 ENDBRANCH 22 26 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 14